octyl 4-[(4-hydroxyphenyl)carbonylamino]benzenesulfonate

Systemtic Name: octyl 4-[(4-hydroxyphenyl)carbonylamino]benzenesulfonate Openeye Name: octyl 4-[(4-hydroxybenzoyl)amino]benzenesulfonate CAS Name: 4-[[(4-hydroxyphenyl)-oxomethyl]amino]benzenesulfonic acid octyl ester IUPAC Name: octyl 4-[(4-hydroxybenzoyl)amino]benzenesulfonate Traditional Name: 4-[(4-hydroxybenzoyl)amino]benzenesulfonic acid octyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C21H27NO5S/c1-2-3-4-5-6-7-16-27-28(25,26)20-14-10-18(11-15-20)22-21(24)17-8-12-19(23)13-9-17/h8-15,23H,2-7,16H2,1H3,(H,22,24)